bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane

C44H60Si — CID 156627158

IUPACbis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
SMILESCCC[Si](C)(C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21)C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21
InChIInChI=1S/C44H60Si/c1-11-26-45(10,41-29(2)27-39-35(14-12-16-37(39)41)31-18-22-33(23-19-31)43(4,5)6)42-30(3)28-40-36(15-13-17-38(40)42)32-20-24-34(25-21-32)44(7,8)9/h12-25,29-30,37-42H,11,26-28H2,1-10H3
InChIKeyNCTLBUIKGATWBM-UHFFFAOYSA-N
MW617.05 g/mol
LogP12.66
Rot. Bonds6

About bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane

bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane (PubChem CID 156627158) has the molecular formula C44H60Si and a molecular weight of 617.05 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
PubChem CID156627158
Molecular FormulaC44H60Si
Molecular Weight617.05 g/mol
Exact Mass616.45
IUPAC Namebis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
SMILESCCC[Si](C)(C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21)C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21
InChIInChI=1S/C44H60Si/c1-11-26-45(10,41-29(2)27-39-35(14-12-16-37(39)41)31-18-22-33(23-19-31)43(4,5)6)42-30(3)28-40-36(15-13-17-38(40)42)32-20-24-34(25-21-32)44(7,8)9/h12-25,29-30,37-42H,11,26-28H2,1-10H3
InChIKeyNCTLBUIKGATWBM-UHFFFAOYSA-N
XLogP12.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.05
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
The IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane (CID 156627158) is bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane.
What is the SMILES notation for bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
The canonical SMILES for bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane is CCC[Si](C)(C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21)C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21.
What is the InChIKey of bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
The InChIKey is NCTLBUIKGATWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60Si/c1-11-26-45(10,41-29(2)27-39-35(14-12-16-37(39)41)31-18-22-33(23-19-31)43(4,5)6)42-30(3)28-40-36(15-13-17-38(40)42)32-20-24-34(25-21-32)44(7,8)9/h12-25,29-30,37-42H,11,26-28H2,1-10H3.
What are the key properties of bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane has a molecular weight of 617.05 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane is sourced from PubChem (CID 156627158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).